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117043-87-5 molecular structure
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3-hydrazinylpyridazine hydrochloride

ChemBase ID: 88331
Molecular Formular: C4H7ClN4
Molecular Mass: 146.57818
Monoisotopic Mass: 146.03592392
SMILES and InChIs

SMILES:
n1nc(ccc1)NN.Cl
Canonical SMILES:
NNc1cccnn1.Cl
InChI:
InChI=1S/C4H6N4.ClH/c5-7-4-2-1-3-6-8-4;/h1-3H,5H2,(H,7,8);1H
InChIKey:
JSNMMGFCLNVBEX-UHFFFAOYSA-N

Cite this record

CBID:88331 http://www.chembase.cn/molecule-88331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydrazinylpyridazine hydrochloride
IUPAC Traditional name
3-hydrazinylpyridazine hydrochloride
Synonyms
3-hydrazinylpyridazine hydrochloride
(Pyridazin-3-yl)hydrazine hydrochloride
3-Hydrazinopyridazine hydrochloride
CAS Number
117043-87-5
MDL Number
MFCD09258883
MFCD11226159
PubChem SID
162075304
PubChem CID
21455992

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21455992 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.942818  H Acceptors
H Donor LogD (pH = 5.5) -0.75463223 
LogD (pH = 7.4) -0.25059995  Log P -0.23809642 
Molar Refractivity 33.7846 cm3 Polarizability 11.120494 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
196 - 198°C expand Show data source
210-212°C expand Show data source
Hydrophobicity(logP)
-0.0010 expand Show data source
Storage Warning
Irritant/Store under Argon/Keep Cold expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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